Geometry & MOs

Info

ID:

438499

PubChem CID:

135228241

Reduced:

O3N5H15C18 (1)

Stoich.:

A3B5C15D18 (1)

Weight, g/mol:

419.0593

ΔHf, kcal/mol:

52.6

Dipole, Da:

5.04

IP(EA), eV:

 -9.42(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (8E,9E)-13-bromo-8-ethylidene-9-[(E)-3-methoxyprop-2-enylidene]-5,6,7,10,12-pentazatricyclo[8.3.0.03,7]trideca-1(13),3,5,11-tetraene-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CC3=C(N=NN3C4=C(N2C=N1)C=CC(=C4)OC)C#C

DOS

IR

Vibrations